Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATR---------------------TDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQTSNIDLSSLDHVEVLTGPFSSLYG-NSSGGTILTSTKEGQGKDSIELSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRAD--WQNNPKQVVQNVLD---YNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNY--YGADFRWTGKELLPN-TTLSIGVALDAMKEDRQGYQNFNDT-G---DK-G-----VKGALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQ-NQ-LGDFTLAVFQTKTKNDIVSAESFGGRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPSH----GLYGGVDVQYMDKVYVNDTNSDAAPSYSVTSANVGYAWVM---GDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 3QLB Chain:A ((73-748)) ----------------------------------------------PDSATGPQAGYVAKRSLSGTKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRFDTLSIRGFDV-------TTGMLRDGLKGNTAQ---AWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDTFGAPRVFLPAQGTLLGNPNGKVRHNVFLDEPGLDNDRTQYSLGYLLEHRLNDVWSLNSSARYGHVNLLTNTASGMSLAPDLRTLNRAAYRFRIVGDTYSLDNNAQARWNLG-STQMVSLLGIDYRRTREDYYLRGGSASPIDIYNPVHHHHGVFDPSTPFTNTVQRADQVGVYAQQQFTFDEHWVLTVGGRQDRSSARTDNRMN-----DSGSKQDDEKFTYRTGLVYLADNGLAPYISYSTSFDPVLGTNF--------YGTPYKPTSAKQSEVGVKYQPPGIDSYITLSLFDLTQENVLTTDPA--QRLNKIQTGEINVRGIELEGKASLARGLDLLAALTYNDAEVSKSN------NPLEKGKRPTDTPEKMASLWADYTLPEGPLSGLGFGAGVRYIGSTEADAANTQRVPSYTLLDAAVHYDFDKLIPAAKGLRLAVNATNLTDKHYYEGCSL--------TNCSAGYDRSVIASLRYRW--

General information: TITO was launched using: RESULT: Template: 3QLB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3837 210693 54.91 337.65 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 54.91 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.101

(partial model without unconserved sides chains): PDB file : Tito_3QLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QLB-query.scw PDB file : Tito_Scwrl_3QLB.pdb: